(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

C16H19NO2S — CID 177382285

IUPAC(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1
InChIInChI=1S/C16H19NO2S/c1-11-13-7-6-12(19-2)10-14(13)20-15(11)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQJAJEARBLLXKEO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.84
Rot. Bonds2

About (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone

(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (PubChem CID 177382285) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
PubChem CID177382285
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
SMILESCOc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1
InChIInChI=1S/C16H19NO2S/c1-11-13-7-6-12(19-2)10-14(13)20-15(11)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQJAJEARBLLXKEO-UHFFFAOYSA-N
XLogP3.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
ethyl (3R)-1-(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 2395103
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 81301846
azepan-1-yl-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone
CID 693034
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81300975
(5-methoxy-3-methyl-1-benzothiophen-2-yl)-(3-methylsulfonylpiperidin-1-yl)methanone
CID 136531563
(5-methoxy-3-methyl-1-benzothiophen-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545231
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
4-(5-methoxy-3-methyl-1-benzothiophene-2-carbonyl)morpholine-2-carboxylic acid
CID 119239356
(5,6-dimethoxy-3-methyl-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 67094298
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106674329

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone (CID 177382285) is (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is COc1ccc2c(C)c(C(=O)N3CCCCC3)sc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
The InChIKey is QJAJEARBLLXKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-13-7-6-12(19-2)10-14(13)20-15(11)16(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone?
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone has a molecular weight of 289.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 177382285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).